1R3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P02 | O04 | doub | 1.48Å | 1.82Å | |
| P02 | O05 | sing | 1.61Å | 1.75Å | |
| O05 | C06 | sing | 1.43Å | 1.40Å | |
| C06 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.55Å | |
| C09 | C14 | sing | 1.53Å | 1.52Å | |
| C09 | C18 | sing | 1.53Å | 1.58Å | |
| C18 | O20 | sing | 1.43Å | 1.40Å | |
| C18 | C22 | sing | 1.51Å | 1.47Å | |
| C22 | O23 | doub | 1.21Å | 1.20Å | |
| C22 | N24 | sing | 1.35Å | 1.44Å | |
| N24 | C26 | sing | 1.47Å | 1.44Å | |
| C26 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | C32 | sing | 1.51Å | 1.52Å | |
| C32 | O33 | doub | 1.21Å | 1.20Å | |
| C32 | N34 | sing | 1.35Å | 1.43Å | |
| N34 | C36 | sing | 1.47Å | 1.44Å | |
| C36 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | C42 | sing | 1.53Å | 1.55Å | |
| C42 | S45 | sing | 1.81Å | 1.77Å | |
| S45 | O46 | sing | 1.66Å | 1.53Å | |
| S45 | O47 | sing | 1.66Å | 1.48Å | |
| S45 | C48 | sing | 1.81Å | 1.79Å | |
| C48 | C51 | sing | 1.53Å | 1.52Å | |
| C51 | C54 | sing | 1.53Å | 1.53Å | |
| C54 | C57 | sing | 1.53Å | 1.54Å | |
| C57 | C60 | sing | 1.53Å | 1.54Å | |
| C60 | C63 | sing | 1.53Å | 1.53Å | |
| C63 | C66 | sing | 1.53Å | 1.53Å | |
| C66 | C69 | sing | 1.53Å | 1.52Å | |
| C69 | C72 | sing | 1.53Å | 1.51Å | |
| P02 | O01 | sing | 1.61Å | 1.07Å | |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| O20 | H201 | sing | 0.97Å | 0.95Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| O46 | H461 | sing | 0.97Å | 0.95Å | |
| O47 | H471 | sing | 0.97Å | 0.95Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C57 | H572 | sing | 1.09Å | 1.10Å | |
| C60 | H601 | sing | 1.09Å | 1.10Å | |
| C60 | H602 | sing | 1.09Å | 1.10Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C69 | H691 | sing | 1.09Å | 1.10Å | |
| C69 | H692 | sing | 1.09Å | 1.10Å | |
| C72 | H721 | sing | 1.09Å | 1.10Å | |
| C72 | H722 | sing | 1.09Å | 1.10Å | |
| C72 | H723 | sing | 1.09Å | 1.10Å | |
| P02 | O1 | sing | 1.61Å | 32.06Å | |
| O1 | H2 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | P02 | O05 | 110.9° | 109.4° |
| O04 | P02 | O01 | 75.1° | 109.5° |
| O04 | P02 | O1 | 142.9° | 109.5° |
| P02 | O05 | C06 | 112.0° | 123.0° |
| O05 | P02 | O01 | 114.5° | 109.4° |
| O05 | P02 | O1 | 98.8° | 109.5° |
| O05 | C06 | C09 | 113.9° | 109.4° |
| O05 | C06 | H061 | 108.4° | 109.5° |
| O05 | C06 | H062 | 108.3° | 109.5° |
| C06 | C09 | C10 | 111.1° | 109.5° |
| C06 | C09 | C14 | 108.6° | 109.5° |
| C06 | C09 | C18 | 103.2° | 109.4° |
| C09 | C06 | H061 | 108.3° | 109.5° |
| C09 | C06 | H062 | 108.4° | 109.4° |
| C10 | C09 | C14 | 105.3° | 109.5° |
| C10 | C09 | C18 | 117.4° | 109.5° |
| C09 | C10 | H101 | 109.5° | 109.4° |
| C09 | C10 | H102 | 109.5° | 109.5° |
| C09 | C10 | H103 | 109.5° | 109.5° |
| C14 | C09 | C18 | 111.1° | 109.5° |
| C09 | C14 | H141 | 109.5° | 109.5° |
| C09 | C14 | H142 | 109.5° | 109.5° |
| C09 | C14 | H143 | 109.5° | 109.5° |
| C09 | C18 | O20 | 111.6° | 109.5° |
| C09 | C18 | C22 | 110.1° | 109.5° |
| C09 | C18 | H181 | 110.6° | 109.5° |
| O20 | C18 | C22 | 98.3° | 109.5° |
| O20 | C18 | H181 | 113.4° | 109.4° |
| C18 | O20 | H201 | 109.5° | 113.9° |
| C18 | C22 | O23 | 115.3° | 120.0° |
| C18 | C22 | N24 | 123.1° | 120.0° |
| C22 | C18 | H181 | 112.3° | 109.5° |
| O23 | C22 | N24 | 121.6° | 119.9° |
| C22 | N24 | C26 | 115.2° | 120.0° |
| C22 | N24 | H241 | 122.4° | 120.0° |
| N24 | C26 | C29 | 105.2° | 109.5° |
| C26 | N24 | H241 | 122.4° | 120.0° |
| N24 | C26 | H261 | 110.5° | 109.5° |
| N24 | C26 | H262 | 110.5° | 109.5° |
| C26 | C29 | C32 | 101.7° | 109.5° |
| C29 | C26 | H261 | 110.5° | 109.5° |
| C29 | C26 | H262 | 110.5° | 109.4° |
| C26 | C29 | H291 | 111.4° | 109.5° |
| C26 | C29 | H292 | 111.4° | 109.5° |
| C29 | C32 | O33 | 120.9° | 120.0° |
| C29 | C32 | N34 | 117.8° | 120.0° |
| C32 | C29 | H291 | 111.4° | 109.5° |
| C32 | C29 | H292 | 111.4° | 109.5° |
| O33 | C32 | N34 | 121.3° | 120.0° |
| C32 | N34 | C36 | 118.8° | 120.0° |
| C32 | N34 | H341 | 120.6° | 120.0° |
| N34 | C36 | C39 | 103.8° | 109.4° |
| C36 | N34 | H341 | 120.6° | 120.0° |
| N34 | C36 | H361 | 110.9° | 109.5° |
| N34 | C36 | H362 | 110.8° | 109.5° |
| C36 | C39 | C42 | 106.6° | 109.4° |
| C39 | C36 | H361 | 110.8° | 109.5° |
| C39 | C36 | H362 | 110.9° | 109.5° |
| C36 | C39 | H391 | 110.2° | 109.5° |
| C36 | C39 | H392 | 110.2° | 109.5° |
| C39 | C42 | S45 | 103.0° | 109.5° |
| C42 | C39 | H391 | 110.2° | 109.4° |
| C42 | C39 | H392 | 110.2° | 109.5° |
| C39 | C42 | H421 | 111.1° | 109.5° |
| C39 | C42 | H422 | 111.1° | 109.5° |
| C42 | S45 | O46 | 102.0° | 180.0° |
| C42 | S45 | O47 | 108.5° | 90.0° |
| C42 | S45 | C48 | 112.7° | 90.0° |
| S45 | C42 | H421 | 111.1° | 109.5° |
| S45 | C42 | H422 | 111.1° | 109.5° |
| O46 | S45 | O47 | 106.8° | 90.0° |
| O46 | S45 | C48 | 112.5° | 90.0° |
| S45 | O46 | H461 | 109.5° | 114.0° |
| O47 | S45 | C48 | 113.5° | 120.0° |
| S45 | O47 | H471 | 109.5° | 114.0° |
| S45 | C48 | C51 | 110.5° | 109.5° |
| S45 | C48 | H481 | 109.2° | 109.5° |
| S45 | C48 | H482 | 109.2° | 109.5° |
| C48 | C51 | C54 | 110.0° | 109.5° |
| C51 | C48 | H481 | 109.2° | 109.5° |
| C51 | C48 | H482 | 109.2° | 109.5° |
| C48 | C51 | H511 | 109.3° | 109.4° |
| C48 | C51 | H512 | 109.3° | 109.5° |
| C51 | C54 | C57 | 111.1° | 109.5° |
| C54 | C51 | H511 | 109.3° | 109.5° |
| C54 | C51 | H512 | 109.3° | 109.5° |
| C51 | C54 | H541 | 109.1° | 109.5° |
| C51 | C54 | H542 | 109.0° | 109.4° |
| C54 | C57 | C60 | 107.4° | 109.5° |
| C57 | C54 | H541 | 109.1° | 109.5° |
| C57 | C54 | H542 | 109.1° | 109.5° |
| C54 | C57 | H571 | 110.0° | 109.5° |
| C54 | C57 | H572 | 110.0° | 109.4° |
| C57 | C60 | C63 | 106.4° | 109.5° |
| C60 | C57 | H571 | 110.0° | 109.5° |
| C60 | C57 | H572 | 110.0° | 109.4° |
| C57 | C60 | H601 | 110.2° | 109.5° |
| C57 | C60 | H602 | 110.2° | 109.4° |
| C60 | C63 | C66 | 113.3° | 109.5° |
| C63 | C60 | H601 | 110.2° | 109.5° |
| C63 | C60 | H602 | 110.3° | 109.5° |
| C60 | C63 | H631 | 108.5° | 109.4° |
| C60 | C63 | H632 | 108.5° | 109.5° |
| C63 | C66 | C69 | 104.1° | 109.5° |
| C66 | C63 | H631 | 108.5° | 109.5° |
| C66 | C63 | H632 | 108.5° | 109.5° |
| C63 | C66 | H661 | 110.8° | 109.5° |
| C63 | C66 | H662 | 110.8° | 109.5° |
| C66 | C69 | C72 | 111.3° | 109.5° |
| C69 | C66 | H661 | 110.8° | 109.4° |
| C69 | C66 | H662 | 110.8° | 109.5° |
| C66 | C69 | H691 | 109.0° | 109.5° |
| C66 | C69 | H692 | 109.0° | 109.5° |
| C72 | C69 | H691 | 109.0° | 109.4° |
| C72 | C69 | H692 | 109.0° | 109.4° |
| C69 | C72 | H721 | 109.5° | 109.4° |
| C69 | C72 | H722 | 109.5° | 109.5° |
| C69 | C72 | H723 | 109.5° | 109.5° |
| P02 | O01 | H1 | 109.5° | 114.0° |
| O01 | P02 | O1 | 72.6° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.4° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H421 | C42 | H422 | 109.5° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.4° |
| H511 | C51 | H512 | 109.4° | 109.4° |
| H541 | C54 | H542 | 109.5° | 109.4° |
| H571 | C57 | H572 | 109.5° | 109.5° |
| H601 | C60 | H602 | 109.4° | 109.5° |
| H631 | C63 | H632 | 109.4° | 109.4° |
| H661 | C66 | H662 | 109.5° | 109.4° |
| H691 | C69 | H692 | 109.4° | 109.5° |
| H721 | C72 | H722 | 109.5° | 109.4° |
| H721 | C72 | H723 | 109.4° | 109.5° |
| H722 | C72 | H723 | 109.5° | 109.5° |
| P02 | O1 | H2 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | P02 | O05 | O01 | 82.6° | 119.9° |
| O04 | P02 | O05 | O1 | 157.3° | 120.0° |
| O04 | P02 | O05 | C06 | 75.6° | 54.9° |
| O04 | P02 | O01 | O1 | 161.6° | 120.0° |
| O04 | P02 | O01 | H1 | 0.0° | 180.0° |
| O04 | P02 | O1 | H2 | 90.0° | 60.0° |
| P02 | O05 | C06 | C09 | 178.5° | 180.0° |
| O05 | P02 | O01 | O1 | 91.9° | 120.0° |
| O05 | P02 | O01 | H1 | 106.5° | 60.0° |
| P02 | O05 | C06 | H061 | 57.9° | 60.0° |
| P02 | O05 | C06 | H062 | 60.8° | 60.1° |
| O05 | P02 | O1 | H2 | 90.0° | 180.0° |
| O05 | C06 | C09 | H061 | 120.6° | 120.0° |
| O05 | C06 | C09 | H062 | 120.6° | 120.0° |
| O05 | C06 | C09 | C10 | 47.2° | 60.0° |
| O05 | C06 | C09 | C14 | 68.1° | 60.0° |
| O05 | C06 | C09 | C18 | 173.9° | 180.0° |
| C06 | O05 | P02 | O01 | 158.2° | 65.0° |
| O05 | C06 | H061 | H062 | 118.0° | 120.0° |
| C06 | O05 | P02 | O1 | 127.0° | 175.0° |
| C06 | C09 | C10 | C14 | 117.3° | 120.0° |
| C06 | C09 | C10 | C18 | 118.5° | 120.0° |
| C06 | C09 | C14 | C18 | 112.9° | 120.0° |
| C06 | C09 | C18 | O20 | 32.2° | 60.6° |
| C06 | C09 | C18 | C22 | 140.3° | 59.5° |
| C09 | C06 | H061 | H062 | 118.0° | 120.0° |
| C06 | C09 | C10 | H101 | 180.0° | 71.8° |
| C06 | C09 | C10 | H102 | 60.0° | 168.2° |
| C06 | C09 | C10 | H103 | 60.0° | 48.2° |
| C06 | C09 | C14 | H141 | 180.0° | 61.7° |
| C06 | C09 | C14 | H142 | 60.0° | 178.3° |
| C06 | C09 | C14 | H143 | 60.0° | 58.4° |
| C06 | C09 | C18 | H181 | 95.1° | 179.5° |
| C10 | C09 | C14 | C18 | 128.1° | 120.0° |
| C10 | C09 | C18 | O20 | 154.8° | 179.4° |
| C10 | C09 | C18 | C22 | 97.1° | 60.5° |
| C10 | C09 | C06 | H061 | 73.4° | 180.0° |
| C10 | C09 | C06 | H062 | 167.9° | 60.0° |
| C09 | C10 | H101 | H102 | 120.0° | 120.0° |
| C09 | C10 | H101 | H103 | 120.0° | 120.0° |
| C09 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | C09 | C14 | H141 | 61.0° | 178.3° |
| C10 | C09 | C14 | H142 | 179.0° | 58.3° |
| C10 | C09 | C14 | H143 | 59.0° | 61.7° |
| C10 | C09 | C18 | H181 | 27.5° | 59.5° |
| C14 | C09 | C18 | O20 | 84.0° | 59.4° |
| C14 | C09 | C18 | C22 | 24.1° | 179.5° |
| C14 | C09 | C06 | H061 | 171.3° | 60.0° |
| C14 | C09 | C06 | H062 | 52.6° | 180.0° |
| C14 | C09 | C10 | H101 | 62.7° | 48.2° |
| C14 | C09 | C10 | H102 | 57.4° | 71.8° |
| C14 | C09 | C10 | H103 | 177.3° | 168.2° |
| C09 | C14 | H141 | H142 | 120.0° | 120.0° |
| C09 | C14 | H141 | H143 | 120.0° | 120.1° |
| C09 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C09 | C18 | H181 | 148.7° | 60.5° |
| C09 | C18 | O20 | C22 | 115.5° | 120.1° |
| C09 | C18 | O20 | H181 | 125.8° | 119.9° |
| C09 | C18 | C22 | H181 | 123.7° | 120.0° |
| C09 | C18 | C22 | O23 | 114.9° | 115.7° |
| C09 | C18 | C22 | N24 | 62.8° | 64.3° |
| C18 | C09 | C06 | H061 | 53.3° | 60.0° |
| C18 | C09 | C06 | H062 | 65.4° | 60.0° |
| C18 | C09 | C10 | H101 | 61.5° | 168.2° |
| C18 | C09 | C10 | H102 | 178.4° | 48.2° |
| C18 | C09 | C10 | H103 | 58.5° | 71.8° |
| C18 | C09 | C14 | H141 | 67.1° | 58.3° |
| C18 | C09 | C14 | H142 | 52.9° | 61.7° |
| C18 | C09 | C14 | H143 | 172.9° | 178.3° |
| C09 | C18 | O20 | H201 | 114.6° | 60.1° |
| O20 | C18 | C22 | H181 | 119.6° | 120.0° |
| O20 | C18 | C22 | O23 | 1.8° | 4.4° |
| O20 | C18 | C22 | N24 | 179.5° | 175.6° |
| C18 | C22 | O23 | N24 | 177.8° | 180.0° |
| C18 | C22 | N24 | C26 | 177.6° | 175.6° |
| C22 | C18 | O20 | H201 | 0.9° | 60.0° |
| C18 | C22 | N24 | H241 | 2.4° | 4.4° |
| O23 | C22 | N24 | C26 | 0.0° | 4.4° |
| O23 | C22 | C18 | H181 | 121.4° | 124.3° |
| O23 | C22 | N24 | H241 | 180.0° | 175.6° |
| C22 | N24 | C26 | H241 | 180.0° | 180.0° |
| C22 | N24 | C26 | C29 | 110.6° | 180.0° |
| N24 | C22 | C18 | H181 | 60.9° | 55.7° |
| C22 | N24 | C26 | H261 | 130.1° | 60.0° |
| C22 | N24 | C26 | H262 | 8.7° | 60.0° |
| N24 | C26 | C29 | H261 | 119.3° | 120.0° |
| N24 | C26 | C29 | H262 | 119.3° | 119.9° |
| N24 | C26 | C29 | C32 | 113.9° | 180.0° |
| N24 | C26 | H261 | H262 | 122.0° | 120.0° |
| N24 | C26 | C29 | H291 | 127.4° | 60.0° |
| N24 | C26 | C29 | H292 | 4.8° | 60.0° |
| C26 | C29 | C32 | H291 | 118.7° | 120.0° |
| C26 | C29 | C32 | H292 | 118.7° | 120.0° |
| C26 | C29 | C32 | O33 | 95.1° | 0.0° |
| C26 | C29 | C32 | N34 | 84.0° | 180.0° |
| C29 | C26 | N24 | H241 | 69.4° | 0.0° |
| C29 | C26 | H261 | H262 | 122.0° | 120.0° |
| C26 | C29 | H291 | H292 | 123.6° | 120.0° |
| C29 | C32 | O33 | N34 | 179.1° | 180.0° |
| C29 | C32 | N34 | C36 | 179.7° | 180.0° |
| C32 | C29 | C26 | H261 | 5.4° | 60.0° |
| C32 | C29 | C26 | H262 | 126.8° | 60.1° |
| C32 | C29 | H291 | H292 | 123.6° | 120.0° |
| C29 | C32 | N34 | H341 | 0.2° | 0.0° |
| O33 | C32 | N34 | C36 | 0.6° | 0.0° |
| O33 | C32 | C29 | H291 | 146.1° | 120.0° |
| O33 | C32 | C29 | H292 | 23.6° | 120.0° |
| O33 | C32 | N34 | H341 | 179.4° | 180.0° |
| C32 | N34 | C36 | H341 | 180.0° | 180.0° |
| C32 | N34 | C36 | C39 | 116.7° | 180.0° |
| N34 | C32 | C29 | H291 | 34.7° | 60.0° |
| N34 | C32 | C29 | H292 | 157.3° | 60.0° |
| C32 | N34 | C36 | H361 | 2.4° | 60.0° |
| C32 | N34 | C36 | H362 | 124.2° | 60.0° |
| N34 | C36 | C39 | H361 | 119.1° | 120.0° |
| N34 | C36 | C39 | H362 | 119.1° | 120.0° |
| N34 | C36 | C39 | C42 | 104.9° | 180.0° |
| N34 | C36 | H361 | H362 | 122.6° | 120.0° |
| N34 | C36 | C39 | H391 | 135.5° | 60.0° |
| N34 | C36 | C39 | H392 | 14.7° | 60.0° |
| C36 | C39 | C42 | H391 | 119.5° | 120.0° |
| C36 | C39 | C42 | H392 | 119.6° | 120.0° |
| C36 | C39 | C42 | S45 | 163.3° | 176.2° |
| C39 | C36 | N34 | H341 | 63.3° | 0.0° |
| C39 | C36 | H361 | H362 | 122.6° | 120.0° |
| C36 | C39 | H391 | H392 | 121.3° | 120.0° |
| C36 | C39 | C42 | H421 | 44.3° | 56.2° |
| C36 | C39 | C42 | H422 | 77.8° | 63.8° |
| C39 | C42 | S45 | H421 | 119.0° | 120.0° |
| C39 | C42 | S45 | H422 | 119.0° | 120.0° |
| C39 | C42 | S45 | O46 | 37.1° | 133.2° |
| C39 | C42 | S45 | O47 | 75.4° | 80.8° |
| C39 | C42 | S45 | C48 | 158.0° | 159.2° |
| C42 | C39 | C36 | H361 | 14.2° | 60.0° |
| C42 | C39 | C36 | H362 | 136.0° | 60.0° |
| C42 | C39 | H391 | H392 | 121.3° | 120.0° |
| C39 | C42 | H421 | H422 | 123.0° | 120.0° |
| C42 | S45 | O46 | O47 | 113.8° | 146.0° |
| C42 | S45 | O46 | C48 | 121.0° | 26.0° |
| C42 | S45 | O47 | C48 | 126.1° | 90.0° |
| C42 | S45 | C48 | C51 | 158.0° | 140.0° |
| S45 | C42 | C39 | H391 | 77.2° | 63.8° |
| S45 | C42 | C39 | H392 | 43.7° | 56.2° |
| S45 | C42 | H421 | H422 | 123.0° | 120.0° |
| C42 | S45 | O46 | H461 | 180.0° | 64.6° |
| C42 | S45 | O47 | H471 | 180.0° | 11.1° |
| C42 | S45 | C48 | H481 | 81.9° | 20.0° |
| C42 | S45 | C48 | H482 | 37.8° | 100.0° |
| O46 | S45 | O47 | C48 | 124.6° | 90.0° |
| O46 | S45 | C48 | C51 | 43.3° | 40.0° |
| O46 | S45 | C42 | H421 | 156.1° | 106.8° |
| O46 | S45 | C42 | H422 | 81.8° | 13.2° |
| O46 | S45 | O47 | H471 | 70.6° | 168.9° |
| O46 | S45 | C48 | H481 | 163.5° | 160.0° |
| O46 | S45 | C48 | H482 | 76.8° | 80.0° |
| O47 | S45 | C48 | C51 | 78.1° | 49.9° |
| O47 | S45 | C42 | H421 | 43.5° | 39.2° |
| O47 | S45 | C42 | H422 | 165.6° | 159.2° |
| O47 | S45 | O46 | H461 | 66.2° | 149.4° |
| O47 | S45 | C48 | H481 | 42.0° | 70.1° |
| O47 | S45 | C48 | H482 | 161.7° | 170.0° |
| S45 | C48 | C51 | H481 | 120.1° | 120.0° |
| S45 | C48 | C51 | H482 | 120.2° | 120.0° |
| S45 | C48 | C51 | C54 | 85.8° | 179.2° |
| C48 | S45 | C42 | H421 | 83.1° | 80.8° |
| C48 | S45 | C42 | H422 | 39.0° | 39.2° |
| C48 | S45 | O46 | H461 | 59.0° | 90.6° |
| C48 | S45 | O47 | H471 | 53.9° | 78.9° |
| S45 | C48 | H481 | H482 | 119.6° | 120.0° |
| S45 | C48 | C51 | H511 | 154.1° | 59.1° |
| S45 | C48 | C51 | H512 | 34.3° | 60.8° |
| C48 | C51 | C54 | H511 | 120.1° | 120.0° |
| C48 | C51 | C54 | H512 | 120.1° | 120.0° |
| C48 | C51 | C54 | C57 | 119.0° | 180.0° |
| C51 | C48 | H481 | H482 | 119.6° | 120.0° |
| C48 | C51 | H511 | H512 | 119.7° | 120.0° |
| C48 | C51 | C54 | H541 | 1.2° | 59.9° |
| C48 | C51 | C54 | H542 | 120.7° | 60.0° |
| C51 | C54 | C57 | H541 | 120.2° | 120.0° |
| C51 | C54 | C57 | H542 | 120.2° | 120.0° |
| C51 | C54 | C57 | C60 | 146.9° | 180.0° |
| C54 | C51 | C48 | H481 | 34.4° | 60.9° |
| C54 | C51 | C48 | H482 | 154.1° | 59.1° |
| C54 | C51 | H511 | H512 | 119.7° | 120.0° |
| C51 | C54 | H541 | H542 | 119.2° | 119.9° |
| C51 | C54 | C57 | H571 | 93.4° | 60.0° |
| C51 | C54 | C57 | H572 | 27.2° | 60.1° |
| C54 | C57 | C60 | H571 | 119.7° | 120.0° |
| C54 | C57 | C60 | H572 | 119.7° | 119.9° |
| C54 | C57 | C60 | C63 | 75.4° | 180.0° |
| C57 | C54 | C51 | H511 | 120.9° | 60.0° |
| C57 | C54 | C51 | H512 | 1.1° | 60.0° |
| C57 | C54 | H541 | H542 | 119.3° | 120.0° |
| C54 | C57 | H571 | H572 | 120.9° | 120.0° |
| C54 | C57 | C60 | H601 | 165.1° | 59.9° |
| C54 | C57 | C60 | H602 | 44.2° | 60.0° |
| C57 | C60 | C63 | H601 | 119.5° | 120.0° |
| C57 | C60 | C63 | H602 | 119.5° | 120.0° |
| C57 | C60 | C63 | C66 | 162.4° | 180.0° |
| C60 | C57 | C54 | H541 | 26.7° | 60.0° |
| C60 | C57 | C54 | H542 | 92.8° | 60.0° |
| C60 | C57 | H571 | H572 | 121.0° | 120.0° |
| C57 | C60 | H601 | H602 | 121.4° | 119.9° |
| C57 | C60 | C63 | H631 | 41.9° | 60.0° |
| C57 | C60 | C63 | H632 | 77.0° | 60.0° |
| C60 | C63 | C66 | H631 | 120.6° | 120.0° |
| C60 | C63 | C66 | H632 | 120.6° | 120.0° |
| C60 | C63 | C66 | C69 | 177.3° | 180.0° |
| C63 | C60 | C57 | H571 | 44.3° | 60.0° |
| C63 | C60 | C57 | H572 | 164.9° | 60.0° |
| C63 | C60 | H601 | H602 | 121.4° | 120.0° |
| C60 | C63 | H631 | H632 | 118.3° | 120.0° |
| C60 | C63 | C66 | H661 | 58.2° | 60.0° |
| C60 | C63 | C66 | H662 | 63.5° | 60.0° |
| C63 | C66 | C69 | H661 | 119.1° | 120.0° |
| C63 | C66 | C69 | H662 | 119.1° | 120.1° |
| C63 | C66 | C69 | C72 | 155.1° | 180.0° |
| C66 | C63 | C60 | H601 | 78.0° | 60.0° |
| C66 | C63 | C60 | H602 | 42.9° | 60.0° |
| C66 | C63 | H631 | H632 | 118.3° | 120.1° |
| C63 | C66 | H661 | H662 | 122.5° | 120.1° |
| C63 | C66 | C69 | H691 | 34.8° | 60.1° |
| C63 | C66 | C69 | H692 | 84.6° | 60.0° |
| C66 | C69 | C72 | H691 | 120.3° | 120.0° |
| C66 | C69 | C72 | H692 | 120.3° | 120.0° |
| C69 | C66 | C63 | H631 | 62.1° | 60.0° |
| C69 | C66 | C63 | H632 | 56.8° | 60.0° |
| C69 | C66 | H661 | H662 | 122.5° | 119.9° |
| C66 | C69 | H691 | H692 | 119.2° | 120.1° |
| C66 | C69 | C72 | H721 | 180.0° | 60.0° |
| C66 | C69 | C72 | H722 | 60.0° | 180.0° |
| C66 | C69 | C72 | H723 | 60.0° | 60.0° |
| C72 | C69 | C66 | H661 | 85.8° | 60.0° |
| C72 | C69 | C66 | H662 | 36.0° | 60.0° |
| C72 | C69 | H691 | H692 | 119.2° | 119.9° |
| C69 | C72 | H721 | H722 | 120.0° | 120.0° |
| C69 | C72 | H721 | H723 | 120.0° | 120.0° |
| C69 | C72 | H722 | H723 | 120.0° | 120.1° |
| O01 | P02 | O1 | H2 | 90.0° | 60.0° |
| H1 | O01 | P02 | O1 | 161.6° | 60.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| H181 | C18 | O20 | H201 | 119.6° | 180.0° |
| H241 | N24 | C26 | H261 | 49.9° | 120.0° |
| H241 | N24 | C26 | H262 | 171.3° | 120.0° |
| H261 | C26 | C29 | H291 | 113.3° | 180.0° |
| H261 | C26 | C29 | H292 | 124.1° | 60.0° |
| H262 | C26 | C29 | H291 | 8.1° | 60.0° |
| H262 | C26 | C29 | H292 | 114.5° | 180.0° |
| H341 | N34 | C36 | H361 | 177.6° | 120.0° |
| H341 | N34 | C36 | H362 | 55.8° | 120.0° |
| H361 | C36 | C39 | H391 | 105.4° | 180.0° |
| H361 | C36 | C39 | H392 | 133.8° | 60.0° |
| H362 | C36 | C39 | H391 | 16.4° | 60.0° |
| H362 | C36 | C39 | H392 | 104.4° | 180.0° |
| H391 | C39 | C42 | H421 | 163.8° | 176.2° |
| H391 | C39 | C42 | H422 | 41.8° | 56.2° |
| H392 | C39 | C42 | H421 | 75.3° | 63.8° |
| H392 | C39 | C42 | H422 | 162.7° | 176.2° |
| H481 | C48 | C51 | H511 | 85.7° | 179.1° |
| H481 | C48 | C51 | H512 | 154.5° | 59.2° |
| H482 | C48 | C51 | H511 | 34.0° | 60.9° |
| H482 | C48 | C51 | H512 | 85.8° | 179.1° |
| H511 | C51 | C54 | H541 | 118.9° | 180.0° |
| H511 | C51 | C54 | H542 | 0.6° | 60.0° |
| H512 | C51 | C54 | H541 | 121.3° | 60.1° |
| H512 | C51 | C54 | H542 | 119.2° | 180.0° |
| H541 | C54 | C57 | H571 | 146.4° | 180.0° |
| H541 | C54 | C57 | H572 | 93.0° | 60.0° |
| H542 | C54 | C57 | H571 | 26.8° | 60.0° |
| H542 | C54 | C57 | H572 | 147.5° | 180.0° |
| H571 | C57 | C60 | H601 | 75.3° | 179.9° |
| H571 | C57 | C60 | H602 | 163.8° | 60.0° |
| H572 | C57 | C60 | H601 | 45.4° | 60.0° |
| H572 | C57 | C60 | H602 | 75.5° | 180.0° |
| H601 | C60 | C63 | H631 | 161.4° | 180.0° |
| H601 | C60 | C63 | H632 | 42.6° | 60.0° |
| H602 | C60 | C63 | H631 | 77.6° | 60.0° |
| H602 | C60 | C63 | H632 | 163.5° | 179.9° |
| H631 | C63 | C66 | H661 | 178.8° | 180.0° |
| H631 | C63 | C66 | H662 | 57.1° | 60.0° |
| H632 | C63 | C66 | H661 | 62.4° | 60.0° |
| H632 | C63 | C66 | H662 | 175.9° | 180.0° |
| H661 | C66 | C69 | H691 | 154.0° | 179.9° |
| H661 | C66 | C69 | H692 | 34.5° | 60.0° |
| H662 | C66 | C69 | H691 | 84.3° | 60.0° |
| H662 | C66 | C69 | H692 | 156.3° | 179.9° |
| H691 | C69 | C72 | H721 | 59.7° | 60.0° |
| H691 | C69 | C72 | H722 | 179.7° | 60.0° |
| H691 | C69 | C72 | H723 | 60.3° | 180.0° |
| H692 | C69 | C72 | H721 | 59.7° | 180.0° |
| H692 | C69 | C72 | H722 | 60.3° | 60.0° |
| H692 | C69 | C72 | H723 | 179.7° | 60.0° |
| H721 | C72 | H722 | H723 | 120.0° | 120.0° |
